(R)-cetirizine


SMILES OC(=O)COCCN1CCN(CC1)[C@@H](c1ccc(cc1)Cl)c1ccccc1
InChIKey ZKLPARSLTMPFCP-OAQYLSRUSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 388.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations H1

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR3 CXCR3 Human Chemokine A pKi 6.4 6.4 6.4 Guide to Pharmacology
CXCR4 CXCR4 Human Chemokine A pKd 7.7 7.95 8.2 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR4 CXCR4 Human Chemokine A pIC50 9.3 9.3 9.3 Guide to Pharmacology
ACKR3 ACKR3 Human Chemokine A pEC50 7.52 7.71 7.9 Guide to Pharmacology